5-Chloro-6-hydroxy-3-pyridinecarboxylic acid

C₆H₄ClNO₃CAS 54127-63-8173.55 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₆H₄ClNO₃
Molar mass: 173.55 g/mol
Exact mass: 172.9880 Da
logP: 0.73Crippen estimate
Polar surface area: 70.2 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

54127-63-8

SMILES

C1=C(C(=O)NC=C1C(=O)O)Cl

InChIKey

OLTRUTPHSBQWAZ-UHFFFAOYSA-N

InChI

InChI=1S/C6H4ClNO3/c7-4-1-3(6(10)11)2-8-5(4)9/h1-2H,(H,8,9)(H,10,11)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

5-Chloro-6-hydroxynicotinic acid

Work with 5-Chloro-6-hydroxy-3-pyridinecarboxylic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Bromo-6-hydroxynicotinic acid41668-13-761 % similar 6-Hydroxy-5-nitropyridine-3-carboxylic acid6635-31-054 % similar 3,4,5-Trichlorobenzoic acid51-39-853 % similar 3,5-Dichloro-4-hydroxybenzoic acid3336-41-251 % similar 3,4-Dichlorobenzoic acid51-44-551 % similar 3,5-Dichloro-4-methylbenzoic acid39652-34-150 % similar 4-Amino-3,5-dichlorobenzoic acid56961-25-250 % similar 1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid754214-42-148 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Chloro-6-oxo-1,6-dihydropyridine-3-carboxylic acid38025-90-0 5-Chloro-2-hydroxynicotinic acid38076-80-1 2-Chloro-6-nitrophenol603-86-1 4-Chloro-3-nitrophenol610-78-6 Nitrofungin619-08-9 2-Chloro-5-nitrophenol619-10-3 4-Chloro-2-nitrophenol89-64-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook